N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide

C14H16N4O — CID 10192822

IUPACN-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide
SMILESO=C(NC1CC2CC1CN2)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H16N4O/c19-14(17-12-5-11-3-10(12)6-15-11)8-1-2-9-7-16-18-13(9)4-8/h1-2,4,7,10-12,15H,3,5-6H2,(H,16,18)(H,17,19)
InChIKeyHSVQBVTUEGKMTD-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.04
Rot. Bonds2

About N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide

N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide (PubChem CID 10192822) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide
PubChem CID10192822
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide
SMILESO=C(NC1CC2CC1CN2)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H16N4O/c19-14(17-12-5-11-3-10(12)6-15-11)8-1-2-9-7-16-18-13(9)4-8/h1-2,4,7,10-12,15H,3,5-6H2,(H,16,18)(H,17,19)
InChIKeyHSVQBVTUEGKMTD-UHFFFAOYSA-N
XLogP1.04
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide (CID 10192822) is N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide is O=C(NC1CC2CC1CN2)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide?
The InChIKey is HSVQBVTUEGKMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(17-12-5-11-3-10(12)6-15-11)8-1-2-9-7-16-18-13(9)4-8/h1-2,4,7,10-12,15H,3,5-6H2,(H,16,18)(H,17,19).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 10192822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).